SCHEMBL9724370

SCHEMBL9724370

CC(CC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)O.[Zn]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP26B1 Q9NR63 2/20 0.55
RXRA P19793 13/20 0.54
RXRB P28702 9/20 0.54
RARB P10826 9/20 0.54
RARG P13631 8/20 0.54
RXRG P48443 5/20 0.54
RARA P10276 7/20 0.51
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9587349 0.99 CYP26A1 (0.56) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9588481 0.90 CYP3A4 (0.47) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9588172 0.86 CYP3A4 (0.52) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9586713 0.85 CYP3A4 (0.51) CYP26A1CYP3A4CYP26B1RXRARXRB
Zinc Ion SCHEMBL9724367 0.85 CYP3A4 (0.51) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9587549 0.82 CYP3A4 (0.49) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL19072651 0.79 CYP3A4 (0.63) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9588044 0.78 CYP26A1 (0.59) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9586527 0.78 RXRA (0.42) CYP26A1CYP3A4CYP26B1RXRAALDH1A1
SCHEMBL2195789 0.77 CYP3A4 (0.61) CYP26A1CYP3A4CYP26B1RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286523-B1 AROMATIC DERIVATIVES OF BUTYRIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR COSMETIC AND PHARMACEUTICAL USE L'OREAL (FR) 1992-01-22 EP claimed